John M. Gregoire

26 papers A* 6A 1B 2C 1Misc 1Journal 15

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Autonomous Materials Exploration by Integrating Automated Phase Identification and AI-Assisted Human Reasoning. CoRR Ming-Chiang Chang, Maximilian Amsler, Duncan R. Sutherland, Sebastian Ament, Katie R. Gann, Lan Zhou, Louisa M. Smieska, Arthur R. Woll, John M. Gregoire, Carla P. Gomes, R. Bruce van Dover, Michael O. Thompson
2024	A*	`conf`	Conformal Crystal Graph Transformer with Robust Encoding of Periodic Invariance. AAAI Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla P. Gomes
2023	A*	`conf`	M NeurIPS Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla Pedro Gomes
2023	J	`jnl`	M CoRR Yuanqi Du, Yingheng Wang, Yining Huang, Jianan Canal Li, Yanqiao Zhu, Tian Xie, Chenru Duan, John M. Gregoire, Carla P. Gomes
2023	C	`conf`	Physically Informed Graph-Based Deep Reasoning Net for Efficient Combinatorial Phase Mapping. ICMLA Yimeng Min, Ming-Chiang Chang, Shufeng Kong, John M. Gregoire, R. Bruce van Dover, Michael O. Thompson, Carla P. Gomes
2023	J	`jnl`	Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research. CoRR Ming-Chiang Chang, Sebastian Ament, Maximilian Amsler, Duncan R. Sutherland, Lan Zhou, John M. Gregoire, Carla P. Gomes, R. Bruce van Dover, Michael O. Thompson
2023	J	`jnl`	Xtal2DoS: Attention-based Crystal to Sequence Learning for Density of States Prediction. CoRR Junwen Bai, Yuanqi Du, Yingheng Wang, Shufeng Kong, John M. Gregoire, Carla Gomes
2021	J	`jnl`	Automating Crystal-Structure Phase Mapping: Combining Deep Learning with Constraint Reasoning. CoRR Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes
2021	J	`jnl`	Automating crystal-structure phase mapping by combining deep learning with constraint reasoning. Nat. Mach. Intell. Di Chen, Yiwei Bai, Sebastian Ament, Wenting Zhao, Dan Guevarra, Lan Zhou, Bart Selman, R. Bruce van Dover, John M. Gregoire, Carla P. Gomes
2021	J	`jnl`	Autonomous synthesis of metastable materials. CoRR Sebastian Ament, Maximilian Amsler, Duncan R. Sutherland, Ming-Chiang Chang, Dan Guevarra, Aine B. Connolly, John M. Gregoire, Michael O. Thompson, Carla P. Gomes, R. Bruce van Dover
2021	J	`jnl`	Materials Representation and Transfer Learning for Multi-Property Prediction. CoRR Shufeng Kong, Dan Guevarra, Carla P. Gomes, John M. Gregoire
2020	A*	`conf`	Deep Reasoning Networks for Unsupervised Pattern De-mixing with Constraint Reasoning. ICML Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes
2019	J	`jnl`	Computational sustainability: computing for a better world and a sustainable future. Commun. ACM Carla P. Gomes, Thomas G. Dietterich, Christopher Barrett, Jon Conrad, Bistra Dilkina, Stefano Ermon, Fei Fang, Andrew Farnsworth, Alan Fern, Xiaoli Z. Fern, Daniel Fink, Douglas H. Fisher, Alexander Flecker, Daniel Freund, Angela Fuller, John M. Gregoire, John E. Hopcroft, Steve Kelling, J. Zico Kolter, Warren B. Powell, Nicole D. Sintov, John S. Selker, Bart Selman, Daniel Sheldon, David B. Shmoys, Milind Tambe, Weng-Keen Wong, Christopher Wood, Xiaojian Wu, Yexiang Xue, Amulya Yadav, Abdul-Aziz Yakubu, Mary Lou Zeeman
2019	J	`jnl`	Deep Reasoning Networks: Thinking Fast and Slow. CoRR Di Chen, Yiwei Bai, Wenting Zhao, Sebastian Ament, John M. Gregoire, Carla P. Gomes
2019	J	`jnl`	Exponentially-Modified Gaussian Mixture Model: Applications in Spectroscopy. CoRR Sebastian Ament, John M. Gregoire, Carla P. Gomes
2019	Misc	`conf`	Imitation Refinement for X-ray Diffraction Signal Processing. ICASSP Junwen Bai, Zihang Lai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes
2018	B	`conf`	An Efficient Relaxed Projection Method for Constrained Non-negative Matrix Factorization with Application to the Phase-Mapping Problem in Materials Science. CPAIOR Junwen Bai, Sebastian Ament, Guillaume Perez, John M. Gregoire, Carla P. Gomes
2018	J	`jnl`	Imitation Refinement. CoRR Junwen Bai, Runzhe Yang, Yexiang Xue, John M. Gregoire, Carla P. Gomes
2018	J	`jnl`	Phase Mapper: Accelerating Materials Discovery with AI. AI Mag. Junwen Bai, Yexiang Xue, Johan Bjorck, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
2017	A*	`conf`	Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. AAAI Yexiang Xue, Junwen Bai, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, Liane Longpre, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
2017	B	`conf`	Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery. CPAIOR Junwen Bai, Johan Bjorck, Yexiang Xue, Santosh K. Suram, John M. Gregoire, Carla P. Gomes
2016	J	`jnl`	Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. CoRR Yexiang Xue, Junwen Bai, Ronan Le Bras, Brendan Rappazzo, Richard Bernstein, Johan Bjorck, Liane Longpre, Santosh K. Suram, Robert Bruce van Dover, John M. Gregoire, Carla P. Gomes
2015	A*	`conf`	Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. AAAI Stefano Ermon, Ronan Le Bras, Santosh K. Suram, John M. Gregoire, Carla P. Gomes, Bart Selman, Robert Bruce van Dover
2014	A*	`conf`	Challenges in Materials Discovery - Synthetic Generator and Real Datasets. AAAI Ronan Le Bras, Richard Bernstein, John M. Gregoire, Santosh K. Suram, Carla P. Gomes, Bart Selman, R. Bruce van Dover
2014	J	`jnl`	Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. CoRR Stefano Ermon, Ronan Le Bras, Santosh K. Suram, John M. Gregoire, Carla P. Gomes, Bart Selman, Robert Bruce van Dover
2011	A	`conf`	Constraint Reasoning and Kernel Clustering for Pattern Decomposition with Scaling. CP Ronan LeBras, Theodoros Damoulas, John M. Gregoire, Ashish Sabharwal, Carla P. Gomes, R. Bruce van Dover